SCHEMBL5849823

SCHEMBL5849823

C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@H](CCCCCCCCCCCO)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
USP2 O75604 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B1 P14061 8/20 0.53
HRH3 Q9Y5N1 2/20 0.53
STS P08842 4/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.47
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
SHBG P04278 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADRA2C P18825 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12379505 0.87 USP2 (0.64) MAPTUSP2MAPK1HSD17B1HRH3
SCHEMBL12418333 0.85 HSD17B1 (0.63) MAPTUSP2MAPK1HSD17B1HRH3
SCHEMBL12379510 0.83 HSD17B1 (0.76) MAPTUSP2MAPK1HSD17B1HRH3
SCHEMBL218225 0.83 USP2 (0.55) MAPTUSP2MAPK1HRH3STS
SCHEMBL5849876 0.83 MAPT (0.74) MAPTUSP2MAPK1HSD17B1HRH3
SCHEMBL218306 0.83 USP2 (0.55) MAPTUSP2MAPK1HRH3STS
SCHEMBL12379440 0.83 MAPT (0.63) MAPTUSP2MAPK1HSD17B1HRH3
SCHEMBL2292483 0.83 MAPT (0.63) MAPTUSP2MAPK1HSD17B1HRH3
SCHEMBL216338 0.82 USP2 (0.56) MAPTUSP2MAPK1HRH3STS
SCHEMBL19705233 0.82 USP2 (0.56) MAPTUSP2MAPK1HRH3STS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153844-B2 Estrogen-linked platinum (II) complexes as anticancer agents Berube, Gervais (CA) 2006-12-26 US disclosed
US-20040006051-A1 Estrogen-linked platinum (II) complexes as anticancer agents GERVAIS BERUBE (CA) 2004-01-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040006051-A1 Estrogen-linked platinum (II) complexes as anticancer agents ESR2, PGR, ESR1 MAPT 4639/4885USP2 2483/4885MAPK1 1470/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.